Geometry & MOs

Info

ID:	360531
PubChem CID:	127301176
Reduced:	ClS2N3O3C15H16 (1)
Stoich.:	AB2C3D3E15F16 (1)
Weight, g/mol:	365.267842
ΔH_f, kcal/mol:	-54.94
Dipole, Da:	4.7
IP(EA), eV:	-9.54(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(4-methylcyclohexyl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations